N-methylhepta-2,4-dien-1-amine

C8H15N — CID 54531369

IUPACN-methylhepta-2,4-dien-1-amine
SMILESCCC=CC=CCNC
InChIInChI=1S/C8H15N/c1-3-4-5-6-7-8-9-2/h4-7,9H,3,8H2,1-2H3
InChIKeyYWUKBCFCSHSLOW-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.73
Rot. Bonds4

About N-methylhepta-2,4-dien-1-amine

N-methylhepta-2,4-dien-1-amine (PubChem CID 54531369) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-methylhepta-2,4-dien-1-amine.

Molecular Properties

Compound NameN-methylhepta-2,4-dien-1-amine
PubChem CID54531369
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-methylhepta-2,4-dien-1-amine
SMILESCCC=CC=CCNC
InChIInChI=1S/C8H15N/c1-3-4-5-6-7-8-9-2/h4-7,9H,3,8H2,1-2H3
InChIKeyYWUKBCFCSHSLOW-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5E)-octa-3,5-diene
CID 173104147
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
(2Z,5Z)-N-methylocta-2,5-dien-1-amine
CID 143228963
(2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine
CID 167106616
(Z)-N-methyl-4-methyliminobut-2-en-1-amine
CID 147531560
(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine
CID 145212515
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene
CID 142106659
N-methylhex-2-en-1-amine
CID 85238647
1-methoxydodeca-1,3,5,7,9-pentaene
CID 71335564
(1E,3Z,5E)-1-chloroocta-1,3,5-triene
CID 142113042
deca-1,3,5,7-tetraene
CID 54238998
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807

Frequently Asked Questions

What is the IUPAC name of N-methylhepta-2,4-dien-1-amine?
The IUPAC name of N-methylhepta-2,4-dien-1-amine (CID 54531369) is N-methylhepta-2,4-dien-1-amine.
What is the SMILES notation for N-methylhepta-2,4-dien-1-amine?
The canonical SMILES for N-methylhepta-2,4-dien-1-amine is CCC=CC=CCNC.
What is the InChIKey of N-methylhepta-2,4-dien-1-amine?
The InChIKey is YWUKBCFCSHSLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-4-5-6-7-8-9-2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of N-methylhepta-2,4-dien-1-amine?
N-methylhepta-2,4-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhepta-2,4-dien-1-amine is sourced from PubChem (CID 54531369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).